ChemSpider 2D Image | (14Z)-9-(Acetoxymethyl)-14-(2-hydroxypropylidene)-11-methoxy-2,5,5-trimethyl-12-oxo-13-oxatetracyclo[9.2.1.0~1,7~.0~4,6~]tetradec-8-ene-3,4-diyl diacetate | C27H36O10

(14Z)-9-(Acetoxymethyl)-14-(2-hydroxypropylidene)-11-methoxy-2,5,5-trimethyl-12-oxo-13-oxatetracyclo[9.2.1.01,7.04,6]tetradec-8-ene-3,4-diyl diacetate

  • Molecular FormulaC27H36O10
  • Average mass520.569 Da
  • Monoisotopic mass520.230835 Da
  • ChemSpider ID4515894

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(14Z)-9-(Acetoxymethyl)-14-(2-hydroxypropyliden)-11-methoxy-2,5,5-trimethyl-12-oxo-13-oxatetracyclo[9.2.1.01,7.04,6]tetradec-8-en-3,4-diyl-diacetat [German] [ACD/IUPAC Name]
(14Z)-9-(Acetoxymethyl)-14-(2-hydroxypropylidene)-11-methoxy-2,5,5-trimethyl-12-oxo-13-oxatetracyclo[9.2.1.01,7.04,6]tetradec-8-ene-3,4-diyl diacetate [ACD/IUPAC Name]
5H-3a,6-Methanocyclopropa[h][1]benzoxocin-5-one, 1a,2-bis(acetyloxy)-8-[(acetyloxy)methyl]-1,1a,2,3,6,7,9a,9b-octahydro-10-(2-hydroxypropylidene)-6-methoxy-1,1,3-trimethyl-, (10Z)- [ACD/Index Name]
Diacétate de (14Z)-9-(acétoxyméthyl)-14-(2-hydroxypropylidène)-11-méthoxy-2,5,5-triméthyl-12-oxo-13-oxatétracyclo[9.2.1.01,7.04,6]tétradéc-8-ène-3,4-diyle [French] [ACD/IUPAC Name]
4-O-Methyl-12b,13,20-triacetoxy-2,9-dihydroxy-3a-carboxy-2,3-seco-tigla-1(10),6-diene-3,9-lactone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 622.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.7±6.0 kJ/mol
Flash Point: 200.2±25.0 °C
Index of Refraction: 1.555
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.82
ACD/KOC (pH 5.5): 1520.99
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 195.82
ACD/KOC (pH 7.4): 1520.99
Polar Surface Area: 135 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 401.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement